(6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-nitro-cyclohexa-2,4-dien-1-one Formula: C13H8N2O3S MolecularWeight: 272.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC=C(C3=O)[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=CC=C(C3=O)[N+](=O)[O-])/S2

InChI

InChI=1S/C13H8N2O3S/c16-12-8(4-3-6-10(12)15(17)18)13-14-9-5-1-2-7-11(9)19-13/h1-7,14H/b13-8+